1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

C17H18N6O3S — CID 56724123

IUPAC1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)c3ccc4nsnc4c3)CC2)n1
InChIInChI=1S/C17H18N6O3S/c1-10-19-15(26-20-10)9-18-16(24)11-4-6-23(7-5-11)17(25)12-2-3-13-14(8-12)22-27-21-13/h2-3,8,11H,4-7,9H2,1H3,(H,18,24)
InChIKeyJRQNSFXTXIBHQI-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.55
Rot. Bonds4

About 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide

1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 56724123) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID56724123
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(C(=O)c3ccc4nsnc4c3)CC2)n1
InChIInChI=1S/C17H18N6O3S/c1-10-19-15(26-20-10)9-18-16(24)11-4-6-23(7-5-11)17(25)12-2-3-13-14(8-12)22-27-21-13/h2-3,8,11H,4-7,9H2,1H3,(H,18,24)
InChIKeyJRQNSFXTXIBHQI-UHFFFAOYSA-N
XLogP1.55
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide
CID 1016406
2-(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 20814021
2-(2-acetamidoethylamino)-N,N-diisopentyl-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432957
N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetamide
CID 1016403
2-methyl-1-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3655468
N-benzyl-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 16030155
3-methyl-N-(2-phenylethyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 16030174
N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-2-(2-phenylethyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 46890116
2-butyl-N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 46890117
1-[2-(Methylamino)ethyl]-2-piperidin-4-ylbenzimidazole-5-carboxamide
CID 127052080
N-(2-methylpropyl)-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 168287274
N-(1-Ethyl-1H-benzimidazol-2-yl)-1-oxo-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]benzimidazole-8-carboxamide
CID 67240109

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 56724123) is 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(C(=O)c3ccc4nsnc4c3)CC2)n1.
What is the InChIKey of 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is JRQNSFXTXIBHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-10-19-15(26-20-10)9-18-16(24)11-4-6-23(7-5-11)17(25)12-2-3-13-14(8-12)22-27-21-13/h2-3,8,11H,4-7,9H2,1H3,(H,18,24).
What are the key properties of 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazole-5-carbonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56724123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).